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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
Zhang, Yong, Nicholas H. C. Lewis, Julian Mars, Gang Wan, Nicholas J. Weadock, Christopher J. Takacs, Maria R. Lukatskaya, et al. “Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies.” The Journal of Physical Chemistry B 125 (2021): 4501–13. https://doi.org/10.1021/acs.jpcb.1c02189.
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2019 | Journal Article | LibreCat-ID: 13870
Atorf, Bernhard, Chris Holm Auf der Landwehr, Roman Rennerich, and Heinz-Siegfried Kitzerow. “Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators.” The Journal of Physical Chemistry B, 2019, 1384–89. https://doi.org/10.1021/acs.jpcb.8b10039.
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2017 | Journal Article | LibreCat-ID: 39665
Knust, Steffen, Markus Wahle, and Heinz-Siegfried Kitzerow. “Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-Optic Switching Mechanisms.” The Journal of Physical Chemistry B 121, no. 19 (2017): 5110–15. https://doi.org/10.1021/acs.jpcb.7b00307.
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2016 | Journal Article | LibreCat-ID: 13479
Lücke, Andreas, Frank Ortmann, Michel Panhans, Simone Sanna, Eva Rauls, Uwe Gerstmann, and Wolf Gero Schmidt. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” The Journal of Physical Chemistry B 120 (2016): 5572–80. https://doi.org/10.1021/acs.jpcb.6b03598.
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2016 | Journal Article | LibreCat-ID: 39686
Zhang, Bingru, and Heinz-Siegfried Kitzerow. “Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures.” The Journal of Physical Chemistry B 120, no. 12 (2016): 3250–56. https://doi.org/10.1021/acs.jpcb.6b01644.
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2015 | Journal Article | LibreCat-ID: 23595
Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas D. Kühne. “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.” The Journal of Physical Chemistry B, 2015, 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.
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2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B 119 (2015): 6481–91. https://doi.org/10.1021/acs.jpcb.5b03615.
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2015 | Journal Article | LibreCat-ID: 34309
Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas Kühne. “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.” The Journal of Physical Chemistry B 119, no. 31 (2015): 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.
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2014 | Journal Article | LibreCat-ID: 41977
Michels, Rolf, Günter Goerigk, Ulla Vainio, Jérémie Gummel, and Klaus Huber. “Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-Ray Scattering Study.” The Journal of Physical Chemistry B 118, no. 27 (2014): 7618–29. https://doi.org/10.1021/jp502347b.
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2013 | Journal Article | LibreCat-ID: 41980
Michels, Rolf, Yvonne Hertle, Thomas Hellweg, and Klaus Huber. “Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering.” The Journal of Physical Chemistry B 117, no. 48 (2013): 15165–75. https://doi.org/10.1021/jp405206p.
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2013 | Journal Article | LibreCat-ID: 41981
Michels, Rolf, Thomas Sinemus, Jan Hoffmann, Bernhard Brutschy, and Klaus Huber. “Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry.” The Journal of Physical Chemistry B 117, no. 28 (2013): 8611–19. https://doi.org/10.1021/jp403985m.
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2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff, Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” The Journal of Physical Chemistry B, 2012, 4454–60. https://doi.org/10.1021/jp3084869.
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2012 | Journal Article | LibreCat-ID: 39722
Lorenz, Alexander, Natalie Zimmermann, Satyendra Kumar, Dean R. Evans, Gary Cook, Manuel Fernández Martínez, and Heinz-Siegfried Kitzerow. “Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles.” The Journal of Physical Chemistry B 117, no. 3 (2012): 937–41. https://doi.org/10.1021/jp310624c.
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2010 | Journal Article | LibreCat-ID: 34314
Heller, Jeannine, Hossam Elgabarty, Bilin Zhuang, Daniel Sebastiani, and Dariush Hinderberger. “Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations.” The Journal of Physical Chemistry B 114, no. 22 (2010): 7429–38. https://doi.org/10.1021/jp910335t.
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2007 | Journal Article | LibreCat-ID: 41280
Bauer, Matthias, and Helmut Bertagnolli. “The Amplitude Reduction Factor and the Cumulant Expansion Method: Crucial Factors in the Structural Analysis of Alkoxide Precursors in Solution.” The Journal of Physical Chemistry B 111, no. 49 (2007): 13756–64. https://doi.org/10.1021/jp076386i.
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2007 | Journal Article | LibreCat-ID: 42002
Lages, Sebastian, Ralf Schweins, and Klaus Huber. “Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes.” The Journal of Physical Chemistry B 111, no. 35 (2007): 10431–37. https://doi.org/10.1021/jp068258k.
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2006 | Journal Article | LibreCat-ID: 25993
Tiemann, Michael, Frank Marlow, Felix Brieler, and Mika Lindén. “Early Stages of ZnS Growth Studied by Stopped-Flow UV Absorption Spectroscopy: Effects of Educt Concentrations on the Nanoparticle Formation.” The Journal of Physical Chemistry B, 2006, 23142–47. https://doi.org/10.1021/jp0638383.
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.” The Journal of Physical Chemistry B 109 (2005): 17649–53. https://doi.org/10.1021/jp0501087.
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2005 | Journal Article | LibreCat-ID: 13707
Hermann, Andreas, Wolf Gero Schmidt, and Friedhelm Bechstedt. “Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response.” The Journal of Physical Chemistry B 109 (2005): 7928–33. https://doi.org/10.1021/jp0500182.
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B 108 (2004): 7809–13. https://doi.org/10.1021/jp049661z.
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2004 | Journal Article | LibreCat-ID: 22615
Arcos de Pedro, Maria Teresa de los, Michael Gunnar Garnier, Jin Won Seo, Peter Oelhafen, Verena Thommen, and Daniel Mathys. “The Influence of Catalyst Chemical State and Morphology on Carbon Nanotube Growth.” The Journal of Physical Chemistry B, 2004, 7728–34. https://doi.org/10.1021/jp049495v.
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2003 | Journal Article | LibreCat-ID: 13732
Seino, K., Wolf Gero Schmidt, M. Preuss, and F. Bechstedt. “Uracil Adsorbed on Si(001): Structure and Energetics.” The Journal of Physical Chemistry B 107 (2003): 5031–35. https://doi.org/10.1021/jp0342531.
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2003 | Journal Article | LibreCat-ID: 35360
Angelico, R., D. Burgemeister, A. Ceglie, U. Olsson, G. Palazzo, and Claudia Schmidt. “Deuterium NMR Study of Slow Relaxation Dynamics in a Polymer-like Micelles System after Flow-Induced Orientation.” The Journal of Physical Chemistry B 107, no. 38 (2003): 10325–28. https://doi.org/10.1021/jp0356259.
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2000 | Journal Article | LibreCat-ID: 26004
Schulz, M., Michael Tiemann, M. Fröba, and C. Jäger. “NMR Characterization of Mesostructured Aluminophosphates.” The Journal of Physical Chemistry B, 2000, 10473–81. https://doi.org/10.1021/jp000337n.
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1998 | Journal Article | LibreCat-ID: 35373
Schmidt, Gudrun, Stefan Müller, Peter Lindner, Claudia Schmidt, and Walter Richtering. “Shear Orientation of Lyotropic Hexagonal Phases.” The Journal of Physical Chemistry B 102, no. 3 (1998): 507–13. https://doi.org/10.1021/jp9725745.
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